2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine

C12H15N5 — CID 110099974

IUPAC2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
SMILESc1c[nH]c(-c2nccnc2C2CCNCC2)n1
InChIInChI=1S/C12H15N5/c1-3-13-4-2-9(1)10-11(15-6-5-14-10)12-16-7-8-17-12/h5-9,13H,1-4H2,(H,16,17)
InChIKeyZKNMDXHWCZKDQG-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.33
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine

2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine (PubChem CID 110099974) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
PubChem CID110099974
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
SMILESc1c[nH]c(-c2nccnc2C2CCNCC2)n1
InChIInChI=1S/C12H15N5/c1-3-13-4-2-9(1)10-11(15-6-5-14-10)12-16-7-8-17-12/h5-9,13H,1-4H2,(H,16,17)
InChIKeyZKNMDXHWCZKDQG-UHFFFAOYSA-N
XLogP1.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine?
The IUPAC name of 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine (CID 110099974) is 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine is c1c[nH]c(-c2nccnc2C2CCNCC2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine?
The InChIKey is ZKNMDXHWCZKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-13-4-2-9(1)10-11(15-6-5-14-10)12-16-7-8-17-12/h5-9,13H,1-4H2,(H,16,17).
What are the key properties of 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine?
2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine has a molecular weight of 229.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine is sourced from PubChem (CID 110099974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).